N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C17H19N5O3 — CID 91949926

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccnn1C(C)C1CC1
InChIInChI=1S/C17H19N5O3/c1-9(11-4-5-11)22-12(6-7-19-22)20-15(23)13-10(2)25-16-14(13)17(24)21(3)8-18-16/h6-9,11H,4-5H2,1-3H3,(H,20,23)
InChIKeyBMCAFFGRWUIBMI-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.25
Rot. Bonds4

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91949926) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID91949926
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccnn1C(C)C1CC1
InChIInChI=1S/C17H19N5O3/c1-9(11-4-5-11)22-12(6-7-19-22)20-15(23)13-10(2)25-16-14(13)17(24)21(3)8-18-16/h6-9,11H,4-5H2,1-3H3,(H,20,23)
InChIKeyBMCAFFGRWUIBMI-UHFFFAOYSA-N
XLogP2.25
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 91949926) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccnn1C(C)C1CC1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BMCAFFGRWUIBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-9(11-4-5-11)22-12(6-7-19-22)20-15(23)13-10(2)25-16-14(13)17(24)21(3)8-18-16/h6-9,11H,4-5H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91949926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).